1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine

C14H26N4O2S — CID 63852803

IUPAC1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2C(C)NC)nc1C
InChIInChI=1S/C14H26N4O2S/c1-5-17-10-14(16-12(17)3)21(19,20)18-9-7-6-8-13(18)11(2)15-4/h10-11,13,15H,5-9H2,1-4H3
InChIKeyIOZNOFWWECWZMD-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.36
Rot. Bonds5

About 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine

1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine (PubChem CID 63852803) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
PubChem CID63852803
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2C(C)NC)nc1C
InChIInChI=1S/C14H26N4O2S/c1-5-17-10-14(16-12(17)3)21(19,20)18-9-7-6-8-13(18)11(2)15-4/h10-11,13,15H,5-9H2,1-4H3
InChIKeyIOZNOFWWECWZMD-UHFFFAOYSA-N
XLogP1.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55256669
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316553
2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
CID 62065329
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine
CID 107070823
1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine
CID 55256671
4-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-1-ethyl-2-methylimidazole
CID 63400810
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 102690331
N-methyl-2-[1-(methylamino)ethyl]piperidine-1-sulfonamide
CID 114803152
1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63854549
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanone
CID 63846427
methyl (3S)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 115536277

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine (CID 63852803) is 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine is CCn1cc(S(=O)(=O)N2CCCCC2C(C)NC)nc1C.
What is the InChIKey of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
The InChIKey is IOZNOFWWECWZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-17-10-14(16-12(17)3)21(19,20)18-9-7-6-8-13(18)11(2)15-4/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine has a molecular weight of 314.46 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 63852803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).